Chemical ID: 5927733

COc1ccccc1c2c(n3cc(cc(c3n2)Br)Br)NCc4ccccc4
Chemical ID:
5927733
Name [?]:
N-benzyl-3,5-dibromo-8-(2-methoxyphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
COc1ccccc1c2c(n3cc(cc(c3n2)Br)Br)NCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17Br2N3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2597
Area:594.309
Solvation:-3.59799
Coulombic:-33.0974
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:487.187
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.14
LogP (Chemaxon):6.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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